SCHEMBL8062014

SCHEMBL8062014

CCc1ccccc1CCCBr

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.44
GABRB2 P47870 3/20 0.44
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
LIPG Q9Y5X9 1/20 0.38
MGLL Q99685 1/20 0.36
CYP2D6 P10635 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.33
TP53 P04637 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8077715 0.93 CYP4F2 (0.45) GABRA1GABRB2CYP4F2CYP4A11LIPG
SCHEMBL8076166 0.91 LIPG (0.44) GABRA1GABRB2CYP4F2CYP4A11LIPG
SCHEMBL8077993 0.91 LIPG (0.44) GABRA1GABRB2CYP4F2CYP4A11LIPG
SCHEMBL8073120 0.91 LIPG (0.44) GABRA1GABRB2CYP4F2CYP4A11LIPG
SCHEMBL8063382 0.91 LIPG (0.44) GABRA1GABRB2CYP4F2CYP4A11LIPG
SCHEMBL8072346 0.91 LIPG (0.44) GABRA1GABRB2CYP4F2CYP4A11LIPG
SCHEMBL8070935 0.91 LIPG (0.44) GABRA1GABRB2CYP4F2CYP4A11LIPG
SCHEMBL31001652 0.88 TDP1 (0.43) CYP4F2CYP4A11LIPGTDP1TSHR
SCHEMBL4403272 0.88 TDP1 (0.43) CYP4F2CYP4A11LIPGTDP1TSHR
SCHEMBL8072359 0.86 LIPG (0.47) CYP4F2CYP4A11LIPGCYP2D6NR1H2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6063940-A Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-05-16 US disclosed
US-5637736-A Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-06-10 US disclosed
EP-0637580-A1 Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-02-08 EP disclosed